SCHEMBL451131

SCHEMBL451131

CNC(C)c1nc2ccccc2c(=O)n1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 4/20 0.51
TSHR P16473 1/20 0.51
PIK3CD O00329 4/20 0.51
PIK3R2 O00459 1/20 0.51
PIK3CG P48736 1/20 0.51
PDE7A Q13946 3/20 0.50
MAPT P10636 1/20 0.49
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PDE7B Q9NP56 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
PIK3R1 P27986 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL450858 0.92 SMN1; SMN2 (0.57) RAB9AALDH1A1LMNAPOLBCXCR3
SCHEMBL453737 0.91 SMN1; SMN2 (0.58) RAB9AALDH1A1TSHRPIK3CDPIK3R2
SCHEMBL450061 0.91 CXCR3 (0.54) ALDH1A1PIK3CDPIK3CGPIK3R1CXCR3
SCHEMBL447902 0.91 PTGS2 (0.49) NPC1RAB9AALDH1A1TSHRPIK3CD
SCHEMBL1553362 0.89 KCNH2 (0.44) NPC1RAB9AALDH1A1TSHRPIK3CD
SCHEMBL450044 0.89 MEN1 (0.47) NPC1RAB9AALDH1A1PIK3CDPIK3R2
SCHEMBL452172 0.89 ALDH1A1 (0.61) RAB9AALDH1A1TSHRMAPTLMNA
SCHEMBL452947 0.88 PIK3CD (0.47) ALDH1A1PIK3CDPIK3R2PIK3CGMAPT
SCHEMBL1553219 0.88 CXCR3 (0.52) CXCR3
SCHEMBL1553135 0.87 SMN1; SMN2 (0.65) RAB9AALDH1A1TSHRMAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP claimed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US claimed
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US disclosed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 US disclosed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP disclosed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US disclosed
EP-1521746-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2005-04-13 EP disclosed
WO-2003076418-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-09-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 NPC1 84/4885RAB9A 1349/4885ALDH1A1 3161/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 NPC1 84/4885RAB9A 1349/4885ALDH1A1 3161/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.